N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide

C19H25N3O4S — CID 113010132

IUPACN-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NC3CCCCC3)nc2)c(OC)c1
InChIInChI=1S/C19H25N3O4S/c1-25-16-9-10-18(17(12-16)26-2)27(23,24)22-15-8-11-19(20-13-15)21-14-6-4-3-5-7-14/h8-14,22H,3-7H2,1-2H3,(H,20,21)
InChIKeyZBQNJRTXQKWKNB-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.64
Rot. Bonds7

About N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide

N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 113010132) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID113010132
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NC3CCCCC3)nc2)c(OC)c1
InChIInChI=1S/C19H25N3O4S/c1-25-16-9-10-18(17(12-16)26-2)27(23,24)22-15-8-11-19(20-13-15)21-14-6-4-3-5-7-14/h8-14,22H,3-7H2,1-2H3,(H,20,21)
InChIKeyZBQNJRTXQKWKNB-UHFFFAOYSA-N
XLogP3.64
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(cyclopropylamino)-2-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113023785
2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113010011
2,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023515
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113010801
N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 110605160
N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113014986
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 19683207
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 122302182
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide (CID 113010132) is N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NC3CCCCC3)nc2)c(OC)c1.
What is the InChIKey of N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is ZBQNJRTXQKWKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-25-16-9-10-18(17(12-16)26-2)27(23,24)22-15-8-11-19(20-13-15)21-14-6-4-3-5-7-14/h8-14,22H,3-7H2,1-2H3,(H,20,21).
What are the key properties of N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide?
N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 391.49 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclohexylamino)-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 113010132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).